Geometry & MOs

Info

ID:	255304
PubChem CID:	103131251
Reduced:	N3F4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	229.088498
ΔH_f, kcal/mol:	-146.13
Dipole, Da:	3.38
IP(EA), eV:	-9.14(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl)-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCNC(C1=NN(C=C1)C)C2=C(C=CC(=C2)F)C(F)(F)F

DOS

IR

Vibrations